Bug Fixes 🐛
- move response output inside flow by @HannaTuerk in #1617
- Take the anharmonicity displacements to the nearest periodic image by @hrushikesh-s in #1629
- Raise a clear error when too few QHA volumes are left for the fit by @hrushikesh-s in #1609
- Fix duplicate phonon computation and magmom error in generate_frequencies_eigenvectors by @hrushikesh-s in #1610
Enhancements 🛠
- Impose the sum rules on phonopy force constants and do not store them in the forcefield QHA by @hrushikesh-s in #1628
- Breaking: Leave out the acoustic modes at Gamma in the thermal displacement matrices by @hrushikesh-s in #1590
- Count the free force constants of the pheasy workflow with pheasy instead of ALM by @hrushikesh-s in #1620
- Count the free force constants of the hiPhive workflow with symfc instead of ALM by @hrushikesh-s in #1631
Documentation 📖
Other Changes
- Bump wandb from 0.30.0 to 0.31.0 by @dependabot[bot] in #1623
- Bump pymatgen-core from 2026.10.2 to 2026.10.16 by @dependabot[bot] in #1622
- Bump mdanalysis from 2.10.0 to 2.11.0 by @dependabot[bot] in #1626
- Bump pytest-mock from 3.16.0 to 3.17.0 by @dependabot[bot] in #1624
- Bump sphinx from 9.1.0 to 9.1.1 by @dependabot[bot] in #1625
- Bump monty from 2026.7.16 to 2026.10.21 by @dependabot[bot] in #1627
New Contributors
- @HannaTuerk made their first contribution in #1617
Full Changelog: v0.1.6...v0.1.17